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Text File  |  1990-09-30  |  646b  |  21 lines
  1. C = 1.5 (.5,.5,.5)
  2. O = 1.4 (1.,0.,0.)
  3. N = 1.5 (0.,0.,1.)
  4. H = 0.90 (1.0, 1.0, 1.0)
  5. ; THR 17
  6. N :           21.731  19.924  24.464
  7. C :           22.274  18.923  25.342
  8. C :           23.732  19.195  25.553
  9. O :           24.362  19.693  24.622
  10. C :           21.944  17.690  24.496
  11. O :           21.366  16.974  25.552
  12. C :           23.055  16.899  23.851
  13. H :           22.320  20.116  23.678
  14. H :           21.627  18.882  26.206
  15. H :           21.187  18.061  23.785
  16. H :           21.631  16.327  26.225
  17. H :           23.860  16.952  24.574
  18. H :           22.763  15.839  23.764
  19. H :           23.325  17.415  22.957
  20. O :           24.196  18.836  26.735
  21.